ethyl 4-methyl-2-[[(2S)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[(2S)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[(2S)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(2S)-1-oxo-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[(2S)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(2S)-2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)[C@H](C)SC2=NC(=O)C=C(N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O4S2/c1-4-28-18(27)16-11(2)21-19(30-16)24-17(26)12(3)29-20-22-14(10-15(25)23-20)13-8-6-5-7-9-13/h5-10,12H,4H2,1-3H3,(H,21,24,26)(H,22,23,25)/t12-/m0/s1